6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide

C12H12ClN5O — CID 157463237

IUPAC6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1Nc1ncccc1C
InChIInChI=1S/C12H12ClN5O/c1-7-4-3-5-15-11(7)16-8-6-9(13)17-18-10(8)12(19)14-2/h3-6H,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyREBVIRGXYPWDJJ-UHFFFAOYSA-N
MW277.72 g/mol
LogP1.94
Rot. Bonds3

About 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide

6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 157463237) has the molecular formula C12H12ClN5O and a molecular weight of 277.72 g/mol. Its IUPAC name is 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
PubChem CID157463237
Molecular FormulaC12H12ClN5O
Molecular Weight277.72 g/mol
Exact Mass277.07
IUPAC Name6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1Nc1ncccc1C
InChIInChI=1S/C12H12ClN5O/c1-7-4-3-5-15-11(7)16-8-6-9(13)17-18-10(8)12(19)14-2/h3-6H,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyREBVIRGXYPWDJJ-UHFFFAOYSA-N
XLogP1.94
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide
CID 176774472
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 159860536
6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;5-methylpyridin-2-amine
CID 159860535
6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide
CID 174178154
6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138620470
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine
CID 157235212
2-(4-chloro-2-methylanilino)pyridine-3-carboxamide
CID 901918
6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 168873777
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
4-amino-3,5-dichloro-N-(3-methyl-2-pyridinyl)benzamide
CID 82786177
N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide
CID 159503943
6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 118462873

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 157463237) is 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide is CNC(=O)c1nnc(Cl)cc1Nc1ncccc1C.
What is the InChIKey of 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The InChIKey is REBVIRGXYPWDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-7-4-3-5-15-11(7)16-8-6-9(13)17-18-10(8)12(19)14-2/h3-6H,1-2H3,(H,14,19)(H,15,16,17).
What are the key properties of 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 277.72 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 157463237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).